6-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]triazolo[1,5-a]pyridine-3-carboxamide

C26H31N9O3 — CID 170634162

About 6-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]triazolo[1,5-a]pyridine-3-carboxamide

6-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]triazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 170634162) has the molecular formula C26H31N9O3 and a molecular weight of 517.59 g/mol. Its IUPAC name is 6-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]triazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]triazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 170634162
• Molecular Formula: C26H31N9O3
• Molecular Weight: 517.59 g/mol
• Exact Mass: 517.25
• IUPAC Name: 6-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]triazolo[1,5-a]pyridine-3-carboxamide
• SMILES: COCCn1cc(-c2ccc3c(C(=O)Nc4cc(NC(=O)CN5CCC[C@@H]5C)cnc4C)nnn3c2)cn1
• InChI: InChI=1S/C26H31N9O3/c1-17-5-4-8-33(17)16-24(36)29-21-11-22(18(2)27-13-21)30-26(37)25-23-7-6-19(15-35(23)32-31-25)20-12-28-34(14-20)9-10-38-3/h6-7,11-15,17H,4-5,8-10,16H2,1-3H3,(H,29,36)(H,30,37)/t17-/m0/s1
• InChIKey: VZNSBQGFXFVLDK-KRWDZBQOSA-N
• XLogP: 2.62
• TPSA: 131.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.59
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]triazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of 6-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]triazolo[1,5-a]pyridine-3-carboxamide (CID 170634162) is 6-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]triazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for 6-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]triazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for 6-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]triazolo[1,5-a]pyridine-3-carboxamide is COCCn1cc(-c2ccc3c(C(=O)Nc4cc(NC(=O)CN5CCC[C@@H]5C)cnc4C)nnn3c2)cn1.

What is the InChIKey of 6-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]triazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is VZNSBQGFXFVLDK-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H31N9O3/c1-17-5-4-8-33(17)16-24(36)29-21-11-22(18(2)27-13-21)30-26(37)25-23-7-6-19(15-35(23)32-31-25)20-12-28-34(14-20)9-10-38-3/h6-7,11-15,17H,4-5,8-10,16H2,1-3H3,(H,29,36)(H,30,37)/t17-/m0/s1.

What are the key properties of 6-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]triazolo[1,5-a]pyridine-3-carboxamide?

6-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]triazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 517.59 g/mol, XLogP of 2.62, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]triazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 170634162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).